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Information card for entry 4507414
Preview
Coordinates | 4507414.cif |
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Original paper (by DOI) | HTML |
Common name | sulfadiazine (E)-1,2-bis(4-pyridyl)ethylene |
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Formula | C16 H15 N5 O2 S |
Calculated formula | C16 H15 N5 O2 S |
Title of publication | Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary |
Authors of publication | Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 393 |
a | 5.7617 ± 0.0012 Å |
b | 7.9548 ± 0.0017 Å |
c | 18.104 ± 0.004 Å |
α | 98.292 ± 0.004° |
β | 98.831 ± 0.003° |
γ | 102.779 ± 0.003° |
Cell volume | 785.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0587 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1258 |
Weighted residual factors for all reflections included in the refinement | 0.141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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